SCHEMBL8948353

SCHEMBL8948353

CCCC1(C)Oc2cc(N)c(OC)cc2O1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
CYP3A4 P08684 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GAA P10253 2/20 0.37
BCHE P06276 1/20 0.35
PKM P14618 1/20 0.33
S100B P04271 1/20 0.33
HTT P42858 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPKAPK2 P49137 1/20 0.32
APP P05067 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL10481229 0.98 ALDH1A1 (0.39) ALDH1A1CYP3A4TDP1TSHRHSD17B10
SCHEMBL16042547 0.74 L3MBTL1 (0.44) ALDH1A1CYP3A4TDP1TSHRHSD17B10
SCHEMBL10481230 0.72 HTR2B (0.40) ALDH1A1CYP3A4TDP1L3MBTL1
SCHEMBL30720219 0.66 LMNA (0.55) ALDH1A1CYP3A4TDP1TSHRHSD17B10
SCHEMBL9110788 0.66 ALDH1A1 (0.51) ALDH1A1CYP3A4TDP1TSHRHSD17B10
SCHEMBL212999 0.66 LMNA (0.55) ALDH1A1CYP3A4TDP1TSHRHSD17B10
SCHEMBL19030643 0.66 KDM4E (0.40) ALDH1A1CYP3A4TDP1TSHRHSD17B10
SCHEMBL926329 0.65 L3MBTL1 (0.67) ALDH1A1CYP3A4TDP1TSHRHSD17B10
Hydrochloric Acid SCHEMBL2767291 0.65 LMNA (0.53) ALDH1A1CYP3A4TDP1TSHRHSD17B10
SCHEMBL453951 0.63 GAA (0.68) ALDH1A1CYP3A4TDP1TSHRHSD17B10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4865617-A Dyeing compositions for keratinous fibres, especially for human hair, containing oxidation dye precursors and heterocyclic couplers L'OREAL (FR) 1989-09-12 US claimed
US-5542952-A DEVELOPERS THAT FORM STABLE OXIDATION HAIR DYES L'OREAL (FR) 1996-08-06 US disclosed
US-5032137-A Hair dye L'OREAL (FR) 1991-07-16 US disclosed
US-4979961-A p-phenylenediamines, process for preparation thereof, dyeing composition containing them and corresponding dyeing process L'OREAL (FR) 1990-12-25 US disclosed
US-4865617-A Dyeing compositions for keratinous fibres, especially for human hair, containing oxidation dye precursors and heterocyclic couplers L'OREAL (FR) 1989-09-12 US disclosed